Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.61 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.56 |
| ▸ | ADRA2A known ✓ | P08913 | 3/20 | 0.56 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.56 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.56 |
| ▸ | SLC6A3 known ✓ | Q01959 | 3/20 | 0.56 |
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.56 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 2/20 | 0.56 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.56 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.56 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.56 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.56 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.56 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.56 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.56 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.56 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.56 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.56 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.56 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.56 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL27274399 | 0.98 | KCNH2 (0.69) | KCNH2SIGMAR1HTR2AMAOAADRA2A | |
| Water SCHEMBL28090810 | 0.98 | KCNH2 (0.69) | KCNH2SIGMAR1HTR2AMAOAADRA2A | |
| Water SCHEMBL6149754 | 0.98 | KCNH2 (0.69) | KCNH2SIGMAR1HTR2AMAOAADRA2A | |
| Water SCHEMBL28120606 | 0.98 | KCNH2 (0.69) | KCNH2SIGMAR1HTR2AMAOAADRA2A | |
| Water SCHEMBL17221084 | 0.98 | KCNH2 (0.69) | KCNH2SIGMAR1HTR2AMAOAADRA2A | |
| Water SCHEMBL27607985 | 0.98 | KCNH2 (0.69) | KCNH2SIGMAR1HTR2AMAOAADRA2A | |
| Benzene SCHEMBL28151391 | 0.97 | KCNH2 (0.68) | KCNH2SIGMAR1HTR2AMAOAADRA2A | |
| SCHEMBL35869 | 0.97 | KCNH2 (0.68) | KCNH2SIGMAR1HTR2AMAOAADRA2A | |
| Benzene SCHEMBL28454829 | 0.97 | KCNH2 (0.68) | KCNH2SIGMAR1HTR2AMAOAADRA2A | |
| SCHEMBL175633 | 0.95 | KCNH2 (0.71) | KCNH2SIGMAR1HTR2AMAOAADRA2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106008140-A | Simple synthesis method of olefin | 扬州大学 | 2016-10-12 | — | — | CN | claimed |
| CN-106008140-B | A kind of simple synthesis of alkene | 扬州大学 | 2018-05-04 | — | — | CN | disclosed |
| CN-106008140-A | Simple synthesis method of olefin | 扬州大学 | 2016-10-12 | — | — | CN | disclosed |
| CN-101351524-B | Use of rylene derivatives as photosensitizers in solar cells | BASF SE | 2015-01-21 | — | — | CN | disclosed |
| CN-101208341-B | Hexarylene and pentarylene tetracarboxylic acid diimides | BASF AG | 2014-12-10 | — | — | CN | disclosed |
| CN-100586949-C | Method for producing quaterrylene-3,4:13,14-tetracarboxy diimides by direct synthesis | BASF AG | 2010-02-03 | — | — | CN | disclosed |
| CN-100519534-C | Method for the production of terylene-3,4:11,12-tetracarboxydiimides by direct synthesis | BASF AG MARX PLANCK ASS FOR TH (DE) | 2009-07-29 | — | — | CN | disclosed |
| CN-101467276-A | Liquid crystalline rylene tetracarboxylic acid derivatives and use thereof | MAX PLANCK GESELLSCHAFT (DE) | 2009-06-24 | — | — | CN | disclosed |
| CN-101351524-A | Use of rylene derivatives as photosensitizers in solar cells | BASF AG (DE) | 2009-01-21 | — | — | CN | disclosed |
| CN-101208341-A | Hexarylene and pentarylene tetracarboxylic acid diimides | BASF AG (DE) | 2008-06-25 | — | — | CN | disclosed |
| CN-101076530-A | Method for producing quaterrylene-3,4:13,14-tetracarboxy diimides by direct synthesis | BASF AG (DE) | 2007-11-21 | — | — | CN | disclosed |
| CN-100341947-C | Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides | BASF AG (DE) | 2007-10-10 | — | — | CN | disclosed |
| CN-1910155-A | Method for preparing terylene-3, 4:11, 12-tetracarboxydiimide by direct synthesis | BASF AG (DE) | 2007-02-07 | — | — | CN | disclosed |
| CN-1863775-A | 1- (quinoline-amino) -and 1- (isoquinoline-amino) -substituted pentanols, process for their preparation and their use as anti-inflammatory agents | SCHERING AG (DE) | 2006-11-15 | — | — | CN | disclosed |
| CN-1649967-A | Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides | BASF AG (DE) | 2005-08-03 | — | — | CN | disclosed |
| CN-1055163-C | DIR compound used for color photographic material | CHINA LEKAI FILM CO (CN) | 2000-08-02 | — | — | CN | disclosed |
| CN-1199873-A | DIR compound used for color photographic material | CHINA LEKAI FILM CO (CN) | 1998-11-25 | — | — | CN | disclosed |